5-[(Z)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
Formula:C14H12N6O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid is not a drug-like molecule.
| MolName | 5-[(Z)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid |
| MolecularFormula | C14H12N6O5S |
| Smiles | OS(c1ccc(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)o1)(=O)=O |
| InChI | InChI=1S/C14H12N6O5S/c21-12(16-15-8-11-6-7-13(25-11)26(22,23)24)9-20-18-14(17-19-20)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,21)(H,22,23,24) |
| InChIK | DOWYZRDQXNNSHS-UHFFFAOYSA-N |
| TotalMolweight | 376.352 |
| Molweight | 376.352 |
| MonoisotopicMass | 376.058989 |
| CLogP | -0.4303 |
| CLogS | -1.84 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 270.61 |
| Relative PSA | 0.48623 |
| PolarSurfaceArea | 160.95 |
| Druglikeness | 2.045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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